4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide

C24H32BrNO2 — CID 19201600

IUPAC4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(Br)c1
InChIInChI=1S/C24H32BrNO2/c1-6-18-12-13-22(21(25)15-18)28-14-8-11-23(27)26-24-19(16(2)3)9-7-10-20(24)17(4)5/h7,9-10,12-13,15-17H,6,8,11,14H2,1-5H3,(H,26,27)
InChIKeyKAIGCLZCMPCEKF-UHFFFAOYSA-N
MW446.43 g/mol
LogP7.06
Rot. Bonds9

About 4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide

4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide (PubChem CID 19201600) has the molecular formula C24H32BrNO2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
PubChem CID19201600
Molecular FormulaC24H32BrNO2
Molecular Weight446.43 g/mol
Exact Mass445.16
IUPAC Name4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(Br)c1
InChIInChI=1S/C24H32BrNO2/c1-6-18-12-13-22(21(25)15-18)28-14-8-11-23(27)26-24-19(16(2)3)9-7-10-20(24)17(4)5/h7,9-10,12-13,15-17H,6,8,11,14H2,1-5H3,(H,26,27)
InChIKeyKAIGCLZCMPCEKF-UHFFFAOYSA-N
XLogP7.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.43
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 19201602
4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 19206202
4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide
CID 19202057
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]butanamide
CID 19208220
4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide
CID 19201332
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide
CID 19208224
4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19219670
methyl 3-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19206221
4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 112762986
N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206365
4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 19201982
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide
CID 19208191

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide?
The IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide (CID 19201600) is 4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide?
The canonical SMILES for 4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide is CCc1ccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide?
The InChIKey is KAIGCLZCMPCEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrNO2/c1-6-18-12-13-22(21(25)15-18)28-14-8-11-23(27)26-24-19(16(2)3)9-7-10-20(24)17(4)5/h7,9-10,12-13,15-17H,6,8,11,14H2,1-5H3,(H,26,27).
What are the key properties of 4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide?
4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide has a molecular weight of 446.43 g/mol, XLogP of 7.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide is sourced from PubChem (CID 19201600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).